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Toremifene Citrate
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$54.99$59.99
- Concentration
- 60 mg per mL
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| Molecular Formula | C32H36ClNO8 |
| Molecular Weight | 598.1 |
| Monoisotopic Mass | 597.2129448 |
| Polar Area | 145 |
| Complexity | 710 |
| Heavy Atom Count | 42 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 14 |
| Physical Appearance | White Opaque Liquid |
| Stability | Room Temperature |
| PubChem LCSS | Toremifene Citrate Laboratory Chemical Safety Summary |
| Property | Property Value |
|---|---|
| CID | 3005572 |
| CAS | 89778-27-8 |
| InChI | InChI=1S/C26H28ClNO.C6H8O7/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21;7-3(8)1-6(13, 5(11)12)2-4(9)10/h3-16H, 17-20H2, 1-2H3;13H, 1-2H2, (H, 7, 8)(H, 9, 10)(H, 11, 12)/b26-25-; |
| InChIKey | IWEQQRMGNVVKQW-OQKDUQJOSA-N |
| Isomeric SMILES | CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Canonical SMILES | CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| IUPAC Name | 2-[4-[(Z)-4-chloro-1, 2-diphenylbut-1-enyl]phenoxy]-N, N-dimethylethanamine;2-hydroxypropane-1, 2, 3-tricarboxylic acid |
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed May 20, 2024)
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